N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide

C15H19NO2 — CID 82829980

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC1CC2CCC1C2
InChIInChI=1S/C15H19NO2/c1-9-12(3-2-4-14(9)17)15(18)16-13-8-10-5-6-11(13)7-10/h2-4,10-11,13,17H,5-8H2,1H3,(H,16,18)
InChIKeyNNPUJIJZOOICQG-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.62
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide

N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide (PubChem CID 82829980) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide
PubChem CID82829980
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC1CC2CCC1C2
InChIInChI=1S/C15H19NO2/c1-9-12(3-2-4-14(9)17)15(18)16-13-8-10-5-6-11(13)7-10/h2-4,10-11,13,17H,5-8H2,1H3,(H,16,18)
InChIKeyNNPUJIJZOOICQG-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methyl-3-nitrobenzamide
CID 6952825
N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide
CID 80710467
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide
CID 23306993
2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 71624225
3-hydroxy-2-methyl-N-(2-methylcycloheptyl)benzamide
CID 82829354
3-hydroxy-2-methyl-N-(2-propylcyclopropyl)benzamide
CID 103873583
3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82829597
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829272

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide (CID 82829980) is N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is NNPUJIJZOOICQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9-12(3-2-4-14(9)17)15(18)16-13-8-10-5-6-11(13)7-10/h2-4,10-11,13,17H,5-8H2,1H3,(H,16,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide?
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 245.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82829980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).